1-[2-(3,4-dimethoxyphenyl)ethylamino]-3-(3-methylphenyl)sulfanyl-propan-2-ol

Systemtic Name: 1-[2-(3,4-dimethoxyphenyl)ethylamino]-3-(3-methylphenyl)sulfanyl-propan-2-ol Openeye Name: 1-[2-(3,4-dimethoxyphenyl)ethylamino]-3-(m-tolylsulfanyl)propan-2-ol CAS Name: 1-[2-(3,4-dimethoxyphenyl)ethylamino]-3-[(3-methylphenyl)thio]-2-propanol IUPAC Name: 1-[2-(3,4-dimethoxyphenyl)ethylamino]-3-(3-methylphenyl)sulfanylpropan-2-ol Traditional Name: 1-(homoveratrylamino)-3-(m-tolylthio)propan-2-ol Formula: C20H27NO3S MolecularWeight: 361.49828

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)SCC(CNCCC2=CC(=C(C=C2)OC)OC)O

Isomeric SMILES

CC1=CC(=CC=C1)SCC(CNCCC2=CC(=C(C=C2)OC)OC)O

InChI

InChI=1S/C20H27NO3S/c1-15-5-4-6-18(11-15)25-14-17(22)13-21-10-9-16-7-8-19(23-2)20(12-16)24-3/h4-8,11-12,17,21-22H,9-10,13-14H2,1-3H3